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| IUPAC name : | 4-methyl-1,3-thiazole |
| InChI : | InChI=1/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3 |
| InChIKey : | QMHIMXFNBOYPND-UHFFFAOYAX |
| SMILES : | CC1=CSC=N1 |
| cas number : | 693-95-8 |
| (EINECS) number : | 211-764-1 |
| beilstein number : | 0105228 |
| fema number : | 3716 |
| coe number : | 11627 |
| jecfa number : | 1043 |
| fl. number : | 15.035 |
| molar refractivity : | 27.55 ± 0.3 cm3 |
| parachor : | 222.2 ± 4.0 cm3 |
| index of refraction : | 1.535 ± 0.02 |
| surface tension : | 39.9 ± 3.0 dyne/cm |
| density : | 1.121 ± 0.06 g/cm3 |
| polarizability : | 10.92 ± 0.5 10-24cm3 |
| XlogP : | 1.20 |
| molecular weight : | 99.1542000 |
| formula : | C4 H5 N S |
| BioActivity Analysis : | 17389241 |
| NMR Predictor : | Predict |
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| export tariff code : | 2934.10.0000 |
| fda reg : | unspecified |
Suppliers :
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| Endeavour : | 4-Methylthiazole
99% |
| Frutarom : | 4-METHYLTHIAZOLE
≥99.00%, NI, Kosher Odor: Green, Nutty |
| Penta : | 4-methyl thiazole
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| Sigma-Aldrich-SAFC : | 4-Methylthiazole
≥98%, Kosher Odor: green; nutty |
| Treatt : | 4-Methylthiazole
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organoleptics :
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| odor type : | nutty |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | nutty green vegetable tomato |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.11200 to 1.11900 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.264 to 9.322
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| refractive index : | 1.52000 to 1.52500 @ 20.00 °C.
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| boiling point : | 133.00 to 134.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 8.60000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.4 ( Air = 1 ) |
| flash point : | 90.00 °F. TCC ( 32.22 °C. )
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| logP (o/w) : | 0.97 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Gavage-Mouse [sex: F] 360.00 ul/kg (O’Neal et al., 1978)
Gavage-Rat [sex: M,F] 930.00 mg/kg (Mondino, 1981b)
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.097 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.05 (μg/capita/day) |
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| recommendation for 4-methyl thiazole usage levels up to : |
| | not for fragrance use.
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| recommendation for 4-methyl thiazole usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 3 |
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| | 4-methyl-1,3-thiazole
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| (EINECS) number : | 211-764-1 |
| RTECS : | XJ5096000 for 693-95-8 |
| chemidplus : | 000693958 |
| EPA Substance Registry Services : | 693-95-8 |
| dtp/nci : | 42976 |
references :
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| | 4-methyl-1,3-thiazole
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| fl. number : | 15.035 |
| jecfa number : | 1043 |
| NIST Chemistry WebBook : | 343278173 |
| pubchem : | 156087 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |